4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine

C35H29NO — CID 166573869

IUPAC4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5cc(C6CCCCC6)ccn5)cccc4c3c2)cc1
InChIInChI=1S/C35H29NO/c1-4-11-24(12-5-1)27-19-20-36-33(23-27)30-18-10-17-29-32-22-28(25-13-6-2-7-14-25)21-31(35(32)37-34(29)30)26-15-8-3-9-16-26/h2-3,6-10,13-24H,1,4-5,11-12H2
InChIKeyCIAXCJNXRXNKPR-UHFFFAOYSA-N
MW479.62 g/mol
LogP10.03
Rot. Bonds4

About 4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine

4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine (PubChem CID 166573869) has the molecular formula C35H29NO and a molecular weight of 479.62 g/mol. Its IUPAC name is 4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine
PubChem CID166573869
Molecular FormulaC35H29NO
Molecular Weight479.62 g/mol
Exact Mass479.22
IUPAC Name4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5cc(C6CCCCC6)ccn5)cccc4c3c2)cc1
InChIInChI=1S/C35H29NO/c1-4-11-24(12-5-1)27-19-20-36-33(23-27)30-18-10-17-29-32-22-28(25-13-6-2-7-14-25)21-31(35(32)37-34(29)30)26-15-8-3-9-16-26/h2-3,6-10,13-24H,1,4-5,11-12H2
InChIKeyCIAXCJNXRXNKPR-UHFFFAOYSA-N
XLogP10.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine
CID 171435652
4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 155612348
3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile
CID 171576900
2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine
CID 166574273
3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176645972
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199
4-(3-cyclohexylphenyl)-2-phenylpyridine
CID 129074802
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578580

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine?
The IUPAC name of 4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine (CID 166573869) is 4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine is c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5cc(C6CCCCC6)ccn5)cccc4c3c2)cc1.
What is the InChIKey of 4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine?
The InChIKey is CIAXCJNXRXNKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29NO/c1-4-11-24(12-5-1)27-19-20-36-33(23-27)30-18-10-17-29-32-22-28(25-13-6-2-7-14-25)21-31(35(32)37-34(29)30)26-15-8-3-9-16-26/h2-3,6-10,13-24H,1,4-5,11-12H2.
What are the key properties of 4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine?
4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine has a molecular weight of 479.62 g/mol, XLogP of 10.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 166573869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).